Digoxigenin

Product Specifications

CAS Number

1672-46-4

Synonyms

3beta,12beta,14-Trihydroxy-5beta-card-20(22)-enolide; Digoxigenin; Digoxin Imp. C (EP); (3β,5β,12β)-3,12,14-Trihydroxycard-20(22)-enolide; 12β-Hydroxydigitoxigenin; 3β,12β,14-Trihydroxycard-20(22)-enolide; 3β-Digoxigenin; Lanadigenin; Δ20:22-3β,12β,14,21-Tetrahydroxynorcholenic acid lactone

Hazard Statement

Fatal if swallowed; UN number: UN2811; Packing Group: I

Purity

>95% (HPLC)

Smiles

C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]3[C@@H]2C[C@@H](O)[C@]4(C)[C@H](CC[C@]34O)C5=CC(=O)OC5

Molecular Formula

C23 H34 O5

Molecular Weight

390.51

InChI

InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,19-,21+,22+,23+/m1/s1

Additionnal Information

IUPAC name: 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one